| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:28 UTC |
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| Update Date | 2025-03-25 01:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO5S |
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| Molecular Mass | 295.0514 |
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| SMILES | Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1 |
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| InChI Key | GQCSYQLGXRREQG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | sulfanilides |
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| Direct Parent | sulfanilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundscarboxylic acidsfuroic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsm-xylenes |
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| Substituents | furanorganosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidexyleneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesaminosulfonyl compoundheteroaromatic compoundm-xylenefuroic acidsulfanilideoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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